chempirical

Basic blue 41

C20H26N4O6S2CAS 12270-13-2482.57 g/mol

Open in Covalent MOL file
N+HONNSONOSOOO−
AlcoholAlkeneEtherImine

Properties

Molecular formula
C20H26N4O6S2
Molar mass
482.57 g/mol
Exact mass
482.1294 Da
logP
1.19Crippen estimate
Polar surface area
128.6 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
6

Identifiers

CAS number
12270-13-2
SMILES
CC[N+](CCO)=C1C=CC(=NN=c2sc3cc(OC)ccc3n2C)C=C1.COS(=O)(=O)[O-]
InChIKey
MHOFGBJTSNWTDT-UHFFFAOYSA-M
InChI
InChI=1S/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

48 names · show all
  • Benzothiazolium, 2-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, methyl sulfate (1:1)
  • C.I. Basic blue 41
  • Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)
  • Astrazon blue FGGL
  • Maxilon blue GRL
  • Deorlene fast blue RL
  • Synacril blue G
  • C.I. 11105
  • 2-[[4-[Ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulfate
  • Basacryl blue X 3GL
  • Kayacryl blue GRL
  • Aizen cathilon blue GRLH
  • Anilan blue GRL
  • Crypur blue GRL
  • Melacril blue GRL
  • Diacryl blue GRL-N
  • Basacryl blue FD-X 3GL
  • Viocryl blue AGL
  • Viocryl blue AGL 300
  • Rifa cationic blue blue GRL 300
  • Rifa cationic blue blue GRL
  • Rifa cationic blue GRL
  • Basic blue X-GRRL
  • Conbasic blue DA
  • Cationic blue X-GRRL
  • Apollo cationic blue GRL
  • Concordacryl blue GRL
  • Blue X-GRL
  • Triacryl blue GRL
  • Raincryl blue GRL
  • Celasol blue GRL
  • Hebeicryl blue X-GRRL
  • Liquid catonic blue XL-GRL
  • Cationic blue X-GRL
  • Dycosacryl blue X-GRRL
  • Blue X-GRRL
  • Dyacryl blue GRL
  • Suraj cationic blue GRL
  • Dycosacryl blue X-GRL
  • Taiacryl blue RGN-T
  • Cationic blue O
  • Yogacryl brilliant blue GRL
  • Maxilon blue GRL pearl
  • Maxilon blue GRL granulated
  • Rifa cationic blue GRL 300
  • Cationic blue 41
  • BB 41
  • BB 41 (dye)

Work with Basic blue 41

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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